SCHEMBL16655865

SCHEMBL16655865

Nc1ncnc2c(C3CCc4ccccc4C3)nn(-c3ccc(O)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
PIK3CD O00329 7/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PRKDC P78527 1/20 0.43
BTK Q06187 8/20 0.38
ATR Q13535 4/20 0.35
DYRK1A Q13627 1/20 0.33
CSF1R P07333 1/20 0.33
LIMK1 P53667 1/20 0.33
ANPEP P15144 1/20 0.33
KDM4E B2RXH2 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16655465 0.87 PIK3CD (0.43) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16655699 0.80 PIK3CD (0.42) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20533284 0.70 EGFR (0.52) EGFRBTKCSF1R
SCHEMBL16655686 0.69 PIK3CD (0.41) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3123123 0.67 EGFR (0.47) EGFRBTK
SCHEMBL22710619 0.66 BTK (0.64) BTK
SCHEMBL30387689 0.65 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21044835 0.65 BTK (0.73) EGFRBTK
SCHEMBL3607743 0.65 RET (0.52) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3117175 0.64 HTR6 (0.47) EGFRBTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US claimed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP claimed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO claimed
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB EGFR 828/4885PIK3CD 2/4885PIK3CA 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.